[3-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-2-(4-phenylbutan-2-ylamino)propyl] N-methylcarbamate

Systemtic Name: [3-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-2-(4-phenylbutan-2-ylamino)propyl] N-methylcarbamate Openeye Name: [3-(3,4-dihydroxyphenyl)-3-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]propyl] N-methylcarbamate CAS Name: N-methylcarbamic acid [3-(3,4-dihydroxyphenyl)-3-hydroxy-2-(4-phenylbutan-2-ylamino)propyl] ester IUPAC Name: [3-(3,4-dihydroxyphenyl)-3-hydroxy-2-(4-phenylbutan-2-ylamino)propyl] N-methylcarbamate Traditional Name: N-methylcarbamic acid [3-(3,4-dihydroxyphenyl)-3-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]propyl] ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(COC(=O)NC)C(C2=CC(=C(C=C2)O)O)O

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(COC(=O)NC)C(C2=CC(=C(C=C2)O)O)O

InChI

InChI=1S/C21H28N2O5/c1-14(8-9-15-6-4-3-5-7-15)23-17(13-28-21(27)22-2)20(26)16-10-11-18(24)19(25)12-16/h3-7,10-12,14,17,20,23-26H,8-9,13H2,1-2H3,(H,22,27)